rel-(3R,4S)-3-{[2-(1H-indol-3-yl)ethyl]amino}-4-(4-methoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{[2-(1H-indol-3-yl)ethyl]amino}-4-(4-methoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{[2-(1H-indol-3-yl)ethyl]amino}-4-(4-methoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2038 |
| Compound Name: | rel-(3R,4S)-3-{[2-(1H-indol-3-yl)ethyl]amino}-4-(4-methoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C21 H24 N2 O5 S2 |
| Smiles: | COc1ccc(cc1)S([C@H]1CS(C[C@@H]1NCCc1c[nH]c2ccccc12)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4403 |
| logD: | 1.4402 |
| logSw: | -2.2124 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.104 |
| InChI Key: | NHWURLWKNOOTLU-NHCUHLMSSA-N |